2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetic acid IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-9-11(7-10-5-3-2-4-6-10)15-13(14-9)18-8-12(16)17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17)